Boson Peak and High Frequency Modes in Amorphous Silica

Abstract
Low and high frequency modes in fused silica at normal and very high density are investigated by molecular dynamics simulation. The calculated vibrational density of states, the Raman intensity, and the far infrared spectrum of normal silica glass present a low frequency mode (50cm1) whose shape and attenuation with temperature is closely related to the boson peak observed experimentally. This mode is attributed to concerted motions between SiO4 tetrahedra. Finally, the present analysis supports the recent suggestion that silica glass becomes fragile at very high density.